⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1154368 | 0.78 | — | — | |
| SCHEMBL22776183 | 0.76 | — | — | |
| SCHEMBL4861380 | 0.76 | — | — | |
| SCHEMBL8107356 | 0.75 | — | — | |
| Acetaldehyde SCHEMBL11594615 | 0.73 | ALDH1A1 (0.35) | — | |
| Sulfur Dioxide SCHEMBL28461511 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL11363953 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL1839645 | 0.70 | — | — | |
| SCHEMBL5713423 | 0.70 | — | — | |
| Acetic Acid SCHEMBL5674100 | 0.70 | ALDH1A1 (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470688-B2 | Phthalazinone derivatives | MAYBRIDGE LIMITED (GB) | 2008-12-30 | — | — | US | disclosed |
| EP-1948642-A1 | 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES | Kudos Pharmaceuticals Ltd (GB) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007045877-A1 | 4-HETEROARYMETHYL SUBSTITUTED PHTHALAZINONE DERIVATIVES | KUDOS PHARMACEUTICALS LIMITED (GB) | 2007-04-26 | — | — | WO | disclosed |
| US-20070093489-A1 | PHTHALAZINONE DERIVATIVES | KUDOS PHARMACEUTICALS LIMITED (GB) | 2007-04-26 | — | — | US | disclosed |
| WO-2005121114-A2 | 1,5 AND 1,4-ANHYDROKETOSES, METHODS FOR THE PREPARATION OF 1,5-AND 1,4-ANHYDROKETOSES, INTERMEDIATES, AND USES OF 1,5-AND 1,4-ANHYDROKETOSES | GLYCOM APS (DK) | 2005-12-22 | — | — | WO | disclosed |
| CN-1709879-A | Method for preparing (2)-2-(2-amino-4-thiazole)-2-hydroxy imine acetate and its derivative | ZHEJIANG PULUO CHEMISTRY CO LT (CN) | 2005-12-21 | — | — | CN | disclosed |